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Molecule
Decyldimethylamine Oxide
CAS: 2605-79-0 · C12H27NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2605-79-0
- Molecular Formula
- C12H27NO
- Molecular Mass
- 201.35 g/mol
Identifiers
CAS Registry Number
2605-79-0
SMILES
CCCCCCCCCC[N+](C)(C)[O-]
InChI Key
ZRKZFNZPJKEWPC-UHFFFAOYSA-N
InChI
InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
Names and Synonyms
- Decyldimethylamine Oxide Synonym
- 1-Decanamine, N,N-dimethyl-, N-oxide Synonym
- Decylamine, N,N-dimethyl-, N-oxide Synonym
- N,N-Dimethyl-n-decylamine oxide Synonym
- Decyldimethylamine oxide Synonym
- Barlox 10S Synonym
- Decyl-N,N-dimethylamine oxide Synonym
- N-Decyl-N,N-dimethylamine oxide Synonym
- N,N-Dimethyl-1-decanamine oxide Synonym
- Dimethyl decylamine oxide Synonym
- Tegotens DO Synonym
- Ammonyx C 10 Synonym
- Aromox DM 10DW Synonym
- Genaminox K 10 Synonym
- Ammonyx DO Synonym
- Decyldimethylamine N-oxide Synonym
- Mackamine 065 Synonym
- Ammonyx DO-C 10 Synonym
- Genaminox DC 40 Synonym
- Euroxide DO 40 Synonym
- Amphitol 10N Synonym
- N,N-Dimethyl-N-decylamine N-oxide Synonym
- Cadenax DM 10DW Synonym
- Ammonyx DO 40 Synonym
- Decylamine oxide Synonym
- Mackamine 654 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.35 g/mol | CAS Common Chemistry |
| 201.35399999999998 g/mol | RDKit | |
| 201.354 g/mol | RDKit | |
| Canonical SMILES | O=N(C)(C)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZRKZFNZPJKEWPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Decyldimethylamine oxide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.06 Ų | RDKit |
| 21.23 Ų | chempirical lib | |
| LogP | 3.7013000000000025 | RDKit |
| 3.7013 | RDKit | |
| Molar Refractivity | 62.95240000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 201.209264484 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 201.35 g/mol. Edit any field — others recompute live.
